[Pw_forum] US not implemented error of D3Q

[Lorenzo Paulatto]

Hello, Min.
If you get that specific error, it is because the pseudopotential you have
used are actually ultrasoft or PAW. I recommend used the ONCV
pseudopotentials from here:
http://www.quantum-simulation.org/potentials/sg15_oncv/upf/

kind regards

On 21 May 2017 at 01:10, Min Hong <m.hong1 at uq.edu.au> wrote:

> Dear QE users,
>
>
> I am doing d3q calculations. I am not using ultrasoft pseudopotentials.
> But, there is always an error:
>
>
> from d3_readin : error #  1
>
> US not implemented
>
>
> Could you help to fix this error?
>
>
> I have tried with pseudopotentials of pbe and pz to run phonon
> calculation, which are not ultrasoft. But I still get this error.
>
>
> In my calculation, when I use nonconversing pseudopotentials, there is
> error of "S matrix not positive definite". So, maybe nonconversing
> pseudopotentials cannot be used in this calculation.
>
>
> Thank you very much.
>
>
> Kind regards,
>
>
> Min Hong
>
>
>
>
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-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/421 Boîte courrier 115, 4 place Jussieu 75252 Paris CX 05
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